SCHEMBL31335896

SCHEMBL31335896

CN1CCC(Nc2ccc3c(c2)CNCC3)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
TYRO3 Q06418 2/20 0.47
AXL P30530 2/20 0.47
MERTK Q12866 1/20 0.47
BPTF Q12830 1/20 0.45
PNMT P11086 3/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
MELK Q14680 1/20 0.42
ASIC3 Q9UHC3 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL31335858 0.92 DDB1 (0.44) POLBDDB1CRBNTYRO3AXL
SCHEMBL10269075 0.88 POLB (0.55) POLBDDB1CRBNTYRO3AXL
SCHEMBL6898991 0.80 POLB (0.53) POLBDDB1CRBNAXL
SCHEMBL12853748 0.76 POLB (0.58) POLBAXL
SCHEMBL10061741 0.76 POLB (0.48) POLBDDB1CRBNTYRO3AXL
SCHEMBL10268414 0.74 PDK2 (0.46) DDB1CRBNTYRO3AXLMERTK
SCHEMBL12386017 0.74 PNMT (0.55) PNMTADRA2AADRA2BADRA2CMELK
SCHEMBL29586931 0.74 PNMT (0.55) PNMTADRA2AADRA2BADRA2CMELK
SCHEMBL12853758 0.72 PDK2 (0.54) POLBDDB1CRBNTYRO3AXL
SCHEMBL19339193 0.72 POLB (0.54) POLBAXL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO disclosed